[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate

C20H16FNO4 — CID 7439931

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate
SMILESO=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc[nH]1
InChIInChI=1S/C20H16FNO4/c21-15-9-7-14(8-10-15)12-25-19-6-2-1-4-16(19)20(24)26-13-18(23)17-5-3-11-22-17/h1-11,22H,12-13H2
InChIKeyGYUACJABEQVJRE-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.77
Rot. Bonds7

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate (PubChem CID 7439931) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate
PubChem CID7439931
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate
SMILESO=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc[nH]1
InChIInChI=1S/C20H16FNO4/c21-15-9-7-14(8-10-15)12-25-19-6-2-1-4-16(19)20(24)26-13-18(23)17-5-3-11-22-17/h1-11,22H,12-13H2
InChIKeyGYUACJABEQVJRE-UHFFFAOYSA-N
XLogP3.77
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-bromophenyl)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 23768164
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 42967136
phenacyl 2-phenylmethoxybenzoate
CID 2565163
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-chloro-4,5-difluorobenzoate
CID 3282695
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 2116978
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate
CID 7870759
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 23904435
1,3,4-thiadiazol-2-ylmethyl 2-[(4-fluorophenyl)methoxy]benzoate
CID 146148643
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 7439920
[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2358793
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate (CID 7439931) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate is O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate?
The InChIKey is GYUACJABEQVJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c21-15-9-7-14(8-10-15)12-25-19-6-2-1-4-16(19)20(24)26-13-18(23)17-5-3-11-22-17/h1-11,22H,12-13H2.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate has a molecular weight of 353.35 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 7439931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).